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Information card for entry 7202440
Preview
Coordinates | 7202440.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C40 H44 Cd3 Cl12 N6 O2 |
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Calculated formula | C40 H44 Cd3 Cl12 N6 O2 |
SMILES | [nH+]1c(c2ccccc2)c2cc(ccc2c2ccc(cc12)[NH3+])[NH3+].OC.[Cd]12(Cl)(Cl)(Cl)[Cl][Cd]34([Cl]1)([Cl]2)[Cl][Cd](Cl)(Cl)(Cl)([Cl]4)[Cl]3.c1(ccc2c3ccc(cc3[nH+]c(c2c1)c1ccccc1)[NH3+])[NH3+].OC |
Title of publication | “Reverse” engineering: Toward 0-D cadmium halide clusters |
Authors of publication | Costin-Hogan, Christina E.; Chen, Chun-Long; Hughes, Emma; Pickett, Austin; Valencia, Richard; Rath, Nigam P.; Beatty, Alicia M. |
Journal of publication | CrystEngComm |
Year of publication | 2008 |
Journal volume | 10 |
Journal issue | 12 |
Pages of publication | 1910 |
a | 7.589 ± 0.002 Å |
b | 23.193 ± 0.007 Å |
c | 14.019 ± 0.004 Å |
α | 90° |
β | 97.04 ± 0.007° |
γ | 90° |
Cell volume | 2448.9 ± 1.2 Å3 |
Cell temperature | 299 ± 2 K |
Ambient diffraction temperature | 299 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.1264 |
Residual factor for significantly intense reflections | 0.0448 |
Weighted residual factors for significantly intense reflections | 0.0829 |
Weighted residual factors for all reflections included in the refinement | 0.1118 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.969 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7202440.html
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